methyl (2S)-2-[[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[1-(7-mesyl-4-methyl-quinazolin-2-yl)isonipecotoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H30N4O5S2 MolecularWeight: 494.6274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C22H30N4O5S2/c1-14-17-6-5-16(33(4,29)30)13-19(17)25-22(23-14)26-10-7-15(8-11-26)20(27)24-18(9-12-32-3)21(28)31-2/h5-6,13,15,18H,7-12H2,1-4H3,(H,24,27)/t18-/m0/s1